SCHEMBL30951759

SCHEMBL30951759

CC[S+]([O-])c1cc(C(C)(C)C#N)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ STAT3 P40763 1/20 0.30
▸ STAT1 P42224 1/20 0.30
▸ CASP3 P42574 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SENP8 Q96LD8 1/20 0.30
▸ SENP7 Q9BQF6 1/20 0.30
▸ SENP6 Q9GZR1 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30951760 1.00 POLB (0.40) POLBALDH1A1KDM4ELRRK2MEN1
SCHEMBL31476290 1.00 POLB (0.40) POLBALDH1A1KDM4ELRRK2MEN1
SCHEMBL15868304 0.90 POLB (0.42) POLBALDH1A1MEN1NPC1STAT3
SCHEMBL24313964 0.88 LRRK2 (0.30) LRRK2
SCHEMBL14677434 0.87 POLB (0.42) POLBALDH1A1MEN1NPC1STAT3
SCHEMBL30951766 0.87 POLB (0.40) POLBALDH1A1KDM4E
SCHEMBL30122283 0.87 POLB (0.40) POLBALDH1A1KDM4E
SCHEMBL30122203 0.87 POLB (0.40) POLBALDH1A1KDM4E
SCHEMBL17609333 0.85 POLB (0.40) POLBALDH1A1MEN1NPC1STAT3
SCHEMBL31476227 0.84 LRRK2 (0.30) LRRK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630421-A1 SYNTHESIS OF SULFOXIMINE COMPOUNDS HAVING A STEREOGENIC SULFUR ATOM Syngenta Crop Protection AG (CH) 2025-10-15 — — EP disclosed
WO-2024121335-A1 SYNTHESIS OF SULFOXIMINE COMPOUNDS HAVING A STEREOGENIC SULFUR ATOM SYNGENTA CROP PROTECTION AG (CH) 2024-06-13 — — WO disclosed
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